Chemical Properties of Docosanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z

InChI

InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-39H2,1-2H3/b8-6+,14-12+,20-18+

InChI Key

MUTHJOFWVWQBLQ-PLYHIOEBSA-N

Formula

C40H74O2

SMILES

CCC=CCC=CCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

587.01

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1010.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	102.75	kJ/mol	Joback Calculated Property
ΔvapH°	175.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-11.61		Relay (1.0) Calculated Property
logPoct/wat	13.941		Crippen Calculated Property
McVol	569.000	ml/mol	McGowan Calculated Property
Pc	424.07	kPa	Joback Calculated Property
Inp	[4130.13; 4130.13]
Inp	4130.13		NIST
Inp	4130.13		NIST
Tboil	728.33	K	Relay (1.0) Calculated Property
Tc	908.15	K	Relay (1.0) Calculated Property
Tfus	310.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2150.40; 2403.69]	J/mol×K	[1203.37; 1610.47]
Cp,gas	2150.40	J/mol×K	1203.37	Joback Calculated Property
Cp,gas	2193.88	J/mol×K	1271.22	Joback Calculated Property
Cp,gas	2235.50	J/mol×K	1339.07	Joback Calculated Property
Cp,gas	2276.27	J/mol×K	1406.92	Joback Calculated Property
Cp,gas	2317.22	J/mol×K	1474.77	Joback Calculated Property
Cp,gas	2359.35	J/mol×K	1542.62	Joback Calculated Property
Cp,gas	2403.69	J/mol×K	1610.47	Joback Calculated Property
η	[0.0000023; 0.0000913]	Pa×s	[597.48; 1203.37]
η	0.0000913	Pa×s	597.48	Joback Calculated Property
η	0.0000317	Pa×s	698.46	Joback Calculated Property
η	0.0000144	Pa×s	799.44	Joback Calculated Property
η	0.0000078	Pa×s	900.42	Joback Calculated Property
η	0.0000048	Pa×s	1001.41	Joback Calculated Property
η	0.0000032	Pa×s	1102.39	Joback Calculated Property
η	0.0000023	Pa×s	1203.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Docosanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.